2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCCC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCCC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C18H21N3O2/c1-18(2)9-15(22)12(16(23)10-18)11-19-8-7-17-20-13-5-3-4-6-14(13)21-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)